methyl (3S)-6-bromo-8-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
AlkaPlorer ID: AK007551
Synonym: None
IUPAC Name: methyl (3S)-6-bromo-8-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Structure
SMILES: COC(=O)[C@@H]1CC2=CC(Br)=C(OC)C(O)=C2CN1
InChI: InChI=1S/C12H14BrNO4/c1-17-11-8(13)3-6-4-9(12(16)18-2)14-5-7(6)10(11)15/h3,9,14-15H,4-5H2,1-2H3/t9-/m0/s1
InChIKey: XQBGNAHXHIIPOB-VIFPVBQESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhodomela confervoides | Rhodomela | Rhodomelaceae | Ceramiales | Florideophyceae | Rhodophyta | None | Eukaryota |
Properties Information
Molecule Weight: 316.151
TPSA？: 67.79
MolLogP？: 1.3505999999999998
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|